5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide

C14H13ClFN3O — CID 62248139

IUPAC5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
SMILESNNc1ccc(Cl)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C14H13ClFN3O/c15-10-5-6-13(19-17)11(7-10)14(20)18-8-9-3-1-2-4-12(9)16/h1-7,19H,8,17H2,(H,18,20)
InChIKeyFHJRWKSMQMIBQS-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.69
Rot. Bonds4

About 5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide

5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide (PubChem CID 62248139) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
PubChem CID62248139
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
SMILESNNc1ccc(Cl)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C14H13ClFN3O/c15-10-5-6-13(19-17)11(7-10)14(20)18-8-9-3-1-2-4-12(9)16/h1-7,19H,8,17H2,(H,18,20)
InChIKeyFHJRWKSMQMIBQS-UHFFFAOYSA-N
XLogP2.69
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide
CID 107183203
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 113206366
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
2,4-dichloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 9047368
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62247960
5-chloro-2-[(2-fluorophenyl)methylamino]benzenecarbothioamide
CID 62494181

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide?
The IUPAC name of 5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide (CID 62248139) is 5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide.
What is the SMILES notation for 5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide?
The canonical SMILES for 5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide is NNc1ccc(Cl)cc1C(=O)NCc1ccccc1F.
What is the InChIKey of 5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide?
The InChIKey is FHJRWKSMQMIBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c15-10-5-6-13(19-17)11(7-10)14(20)18-8-9-3-1-2-4-12(9)16/h1-7,19H,8,17H2,(H,18,20).
What are the key properties of 5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide?
5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide has a molecular weight of 293.73 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide is sourced from PubChem (CID 62248139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).